4-[(3S)-3-aminobutyl]phenol

CAS No.：

Cat. No.: SC251261

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Product Name :4-[(3S)-3-aminobutyl]phenol

Cat. No.: :SC251261

Purity / Specification :—

CAS No. :74248-90-1

MDL No. :—

Molecular Formula :C₁₀H₁₅NO

LogP :1.70

Molecular Weight :165.24

TPSA :46.3

Category :CRO / Contract Research

HSN Code :—

SMILES Code :C[C@@H](CCC1=CC=C(C=C1)O)N

Melting Point :—

InChI Key : :WNTVTQIJPAFZEL-QMMMGPOBSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 165.2 Da

LogP ≤ 5✓ 1.70

HBD ≤ 5✓ 2

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

67/100

Moderate — typical building block

Predicted LogP

1.70log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 46.3Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.